SCHEMBL4777646

SCHEMBL4777646

[CH2]c1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.56
RORC P51449 1/20 0.50
S1PR1 P21453 9/20 0.45
S1PR3 Q99500 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
KMO O15229 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.37
MAP4K4 O95819 1/20 0.36
PRKCD Q05655 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL98041 0.80 MAPT (0.44) CSNK2A1S1PR3MEN1KMT2ALMNA
SCHEMBL7172382 0.79 CSNK2A1 (0.59) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL19612249 0.78 CSNK2A1 (0.58) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL128841 0.78 CSNK2A1 (0.58) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL16955304 0.78 TSHR (0.39) CSNK2A1RORCSMN1; SMN2
SCHEMBL16951319 0.77 CSNK2A1 (0.53) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL96147 0.77 RAB9A (0.45) S1PR1MEN1KMT2ALMNAKDM4E
SCHEMBL23627691 0.76 CSNK2A1 (0.56) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL2103199 0.76 CSNK2A1 (0.61) CSNK2A1RORCS1PR1S1PR3MEN1
SCHEMBL10939237 0.76 CSNK2A1 (0.56) CSNK2A1RORCS1PR1S1PR3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CSNK2A1 401/4885RORC 1743/4885S1PR1 2943/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.